Chemical Properties of Pentafluorobenzoic acid, hex-4-yn-3-yl ester

Pentafluorobenzoic acid, hex-4-yn-3-yl ester

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InChI
InChI=1S/C13H9F5O2/c1-3-5-6(4-2)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h6H,4H2,1-2H3
InChI Key
ZBEFRKYTRGWTFP-UHFFFAOYSA-N
Formula
C13H9F5O2
SMILES
CC#CC(CC)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
292.20
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Physical Properties

Property Value Unit Source
Δf -884.77 kJ/mol Joback Calculated Property
Δfgas -1090.80 kJ/mol Joback Calculated Property
Δfus 39.31 kJ/mol Joback Calculated Property
Δvap 56.95 kJ/mol Joback Calculated Property
log10WS -5.37 Crippen Calculated Property
logPoct/wat 3.341 Crippen Calculated Property
McVol 177.960 ml/mol McGowan Calculated Property
Pc 2027.23 kPa Joback Calculated Property
Inp 1388.00 NIST
Tboil 629.62 K Joback Calculated Property
Tc 818.87 K Joback Calculated Property
Tfus 491.50 K Joback Calculated Property
Vc 0.726 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [440.54; 500.03] J/mol×K [629.62; 818.87] Show Hide
Cp,gas 440.54 J/mol×K 629.62 Joback Calculated Property
Cp,gas 451.80 J/mol×K 661.16 Joback Calculated Property
Cp,gas 462.52 J/mol×K 692.70 Joback Calculated Property
Cp,gas 472.71 J/mol×K 724.24 Joback Calculated Property
Cp,gas 482.36 J/mol×K 755.79 Joback Calculated Property
Cp,gas 491.47 J/mol×K 787.33 Joback Calculated Property
Cp,gas 500.03 J/mol×K 818.87 Joback Calculated Property

Similar Compounds

2,3,4-Trifluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2,6-Difluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2-butyl ester. 2-Fluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Fluorobenzoic acid, hex-4-yn-3-yl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. 3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-pentyl ester. Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate. 2,3,4-Trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Decan-2-yl 2,3,4,5,6-pentafluorobenzoate. Octan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to Pentafluorobenzoic acid, hex-4-yn-3-yl ester.

Sources

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